4-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid

C15H21NO4 — CID 43592997

IUPAC4-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
SMILESCC1(C)CN(CCOc2ccc(C(=O)O)cc2)CCO1
InChIInChI=1S/C15H21NO4/c1-15(2)11-16(8-10-20-15)7-9-19-13-5-3-12(4-6-13)14(17)18/h3-6H,7-11H2,1-2H3,(H,17,18)
InChIKeyTZQQNOWVHRHKLO-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.87
Rot. Bonds5

About 4-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid

4-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid (PubChem CID 43592997) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
PubChem CID43592997
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name4-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
SMILESCC1(C)CN(CCOc2ccc(C(=O)O)cc2)CCO1
InChIInChI=1S/C15H21NO4/c1-15(2)11-16(8-10-20-15)7-9-19-13-5-3-12(4-6-13)14(17)18/h3-6H,7-11H2,1-2H3,(H,17,18)
InChIKeyTZQQNOWVHRHKLO-UHFFFAOYSA-N
XLogP1.87
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
CID 43593001
4-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61301568
3-[3-(2,2-dimethylmorpholin-4-yl)propoxy]benzoic acid
CID 63068123
2-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid
CID 43592998
4-[3-(2,2-dimethylmorpholin-4-yl)propoxy]aniline
CID 43592366
4-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 81096927
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
4-[2-(4-oxopiperidin-1-yl)ethoxy]benzoic acid
CID 22685674
4-[3-(4,4-dimethylpiperidin-1-yl)propoxy]benzoic acid
CID 63074580
1-[3-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62432960
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid?
The IUPAC name of 4-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid (CID 43592997) is 4-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid?
The canonical SMILES for 4-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid is CC1(C)CN(CCOc2ccc(C(=O)O)cc2)CCO1.
What is the InChIKey of 4-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid?
The InChIKey is TZQQNOWVHRHKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2)11-16(8-10-20-15)7-9-19-13-5-3-12(4-6-13)14(17)18/h3-6H,7-11H2,1-2H3,(H,17,18).
What are the key properties of 4-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid?
4-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]benzoic acid is sourced from PubChem (CID 43592997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).